2,2-Dimethyl-3-ethylcyclobutaneacetyl chloride | 58556-11-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 2,2-Dimethyl-3-ethylcyclobutaneacetyl chloride
• 英文别名: 2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl chloride
• CAS: 58556-11-9
• 化学式: C₁₀H₁₇ClO
• 分子量: 188.697
• InChiKey: WZSKXIDOQGLJGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-3-ethylcyclobutaneacetyl chloride 在 potassium thioacyanate 作用下， 以 乙腈 为溶剂， 反应 4.0h， 生成 2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl isothiocyanate
  参考文献：
  名称：

  Synthesis, Crystal Structure and Insecticidal Activity of 1-[2-(3-Ethyl-2,2-dimethylcyclobutyl)acetyl]-3-o-tolylthiourea

  摘要：

  合成了 1-[2-(3-乙基-2, 2-二甲基环丁基)乙酰基]-3-邻甲苯硫脲，并通过红外光谱、1H NMR 和单晶 X 射线衍射对其结构进行了表征。晶体属于单斜晶系，空间群为 P21/c，a = 14.335(3)埃，b = 9.7100(19)埃，c = 26.737(5)埃，a = 90°， b = 92.70(3)°, g = 90°, V = 3717.5(13) Å3, Z = 4, μ = 0.178 mm-1, Dc = 1.138 g/cm3, F(000) = 1376, R = 0.0921, wR2 = 0.1379, 分子式单位 C18H26N2OS。本化合物是 2,2-二甲基环丁烷的一个片段，其构象为半对轴。分子间和分子内氢键显露。这项工作还报告了它对 Ostrinia furnacalis 的杀虫活性。

  DOI：

  10.14233/ajchem.2014.15611
• 作为产物：
  描述：

  2,2-dimethyl-3-ethylcyclobutaneacetic acid 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 2,2-Dimethyl-3-ethylcyclobutaneacetyl chloride
  参考文献：
  名称：

  Synthesis and crystal structure of 1-[2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl]-3-phenyl thiourea

  摘要：

  标题化合物1-[2-(3-乙基-2,2-二甲基环丁基)乙酰基]-3-苯基硫脲已经合成，其晶体结构也已研究。该晶体属于三斜晶系，空间群P-1，a = 10.200(2) Ǻ，b = 12.395(3) Å，c = 15.679(3) Å，α = 92.99(2)o，β = 106.00(3)o，γ = 111.95(3)o，V = 1740.4(6) Å3，Z = 2，μ = 0.187 mm−1，Dc = 1.162 g/cm3，F(000) = 656，R = 0.0784，wR2 = 0.1505，分子式为C17H24N2OS。标题化合物具有2,2-二甲基环丁烷片段，其构象为半椅型。分子间和分子内氢键已经显现。

  DOI：

  10.4314/bcse.v27i1.13

文献信息

• Synthesis and crystal structure of 1-[2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl]-3-phenyl thiourea
  作者：Y-B Yin、Z-Q Yu、Y-L Zhang、J-H Hu、Z-Q Song

  DOI：10.4314/bcse.v27i1.13

  日期：——

  The title compound 1-[2-(3-ethyl-2,2-dimethylcyclobutyl)acetyl]-3-phenylthiourea has been synthesized and its crystal structure was studied. The crystal belongs to triclinic system, space group P-1, a = 10.200(2) Ǻ, b = 12.395(3) Å, c = 15.679(3) Å, α = 92.99(2)o, β = 106.00(3)o, γ = 111.95(3)o, V = 1740.4(6) Å3, Z = 2, μ = 0.187 mm−1, Dc = 1.162 g/cm3, F(000) = 656, R = 0.0784, wR2 = 0.1505, formula unit C17H24N2OS. The title compound has a fragment of 2,2-dimethylcyclobutane and its conformation represents semi-chair. The intermolecular and intramolecular hydrogen bonds are revealed.

  标题化合物1-[2-(3-乙基-2,2-二甲基环丁基)乙酰基]-3-苯基硫脲已经合成，其晶体结构也已研究。该晶体属于三斜晶系，空间群P-1，a = 10.200(2) Ǻ，b = 12.395(3) Å，c = 15.679(3) Å，α = 92.99(2)o，β = 106.00(3)o，γ = 111.95(3)o，V = 1740.4(6) Å3，Z = 2，μ = 0.187 mm−1，Dc = 1.162 g/cm3，F(000) = 656，R = 0.0784，wR2 = 0.1505，分子式为C17H24N2OS。标题化合物具有2,2-二甲基环丁烷片段，其构象为半椅型。分子间和分子内氢键已经显现。
• Ranunculus plant named ‘ABAIRESEKUI’
  申请人：Biancheri Alberto

  公开号：USPP030241P3

  公开（公告）日：2019-02-26

  A new and distinct Ranunculus cultivar named ‘ABAIRESEKUI’ is disclosed, characterized by the production of large flowers that are uniquely streaked purple and white. Petals have a distinctive dentation. The new variety is a Ranunculus , normally produced as a cut flower and also potentially useful as an ornamental plant.

  揭示了一种新的且独特的毛茛属植物品种，名为“ABAIRESEKUI”，其特征是生产出独特的紫白相间的大花朵。花瓣具有独特的齿状边缘。这个新品种是一种毛茛属植物，通常作为切花生产，也有可能作为观赏植物。
• 3-(Hydroxy or hydroxymethyl)-4-hydroxy-alpha(aminomethyl)benzyl alcohols
  申请人：Sterling Drug Inc.

  公开号：US04336400A1

  公开（公告）日：1982-06-22

  Mono-, di- and tri-esters of 3-(hydroxy or hydroxymethyl)-4-hydroxy-alpha-(aminomethyl)benzyl alcohols, obtained by methods involving reduction of the corresponding mono- and di-ester ketones, are useful for producing sympathomimetic effects, such as bronchodilation, of long duration with low cardiovascular stimulating effect, in warm-blooded mammals.

  3-(羟基或羟甲基)-4-羟基-alpha-(氨甲基)苄基醇的单酯、双酯和三酯，通过还原相应的单酯和双酯酮衍生物的方法获得，对于产生长时间的支气管扩张等交感神经效应在恒温哺乳动物中具有低心血管刺激作用，具有用处。
• 3(Hydroxy or hydroxymethyl)-4(hydroxy)-.alpha.-(aminomethyl)benzyl
  申请人：Sterling Drugs Inc.

  公开号：US04138581A1

  公开（公告）日：1979-02-06

  Mono-, di- and tri-esters of 3-(hydroxy or hydroxymethyl)-4-hydroxy-.alpha.-(aminomethyl)benzyl alcohols, obtained by methods involving reduction of the corresponding mono- and di-ester ketones, are useful for producing sympathomimetic effects, such as bronchodilation, of long duration with low cardiovascular stimulating effect, in warm-blooded mammals.

  3-(羟基或羟甲基)-4-羟基-.alpha.-(氨甲基)苯甲醇的单酯、二酯和三酯，通过还原相应的单酯和二酯酮的方法获得，可用于在恒温哺乳动物中产生交感效应，如支气管扩张，具有低心血管刺激作用的长效作用。
• AVOTINSH F. M.; GUDRINIETSE EH. YU.; BIZDENA EH. O.; ZAJTSEVA V. E., LATV.RSR ZINATNU AKAD. VESTIS. KIM. SER., IZV. AN LATVSSR. CEP. XIM., 198+
  作者：AVOTINSH F. M.、 GUDRINIETSE EH. YU.、 BIZDENA EH. O.、 ZAJTSEVA V. E.

  DOI：——

  日期：——